2-(2-Bromoethyl)-5-methyl-1,3,4-oxadiazole

2-(2-bromoethyl)-5-methyl-1,3,4-oxadiazole · 1,3,4-Oxadiazole, 2-(2-bromoethyl)-5-methyl-

https://huagongshe.com/de/chemical/82184635

Molekülstruktur von 2-(2-Bromoethyl)-5-methyl-1,3,4-oxadiazole

Identifikatoren & physikalische Daten

CAS No.	1267334-20-2
Summenformel	C5H7BrN2O
Durchschnittliche Molmasse	191,03 g/mol
Monoisotopische Masse	189,97418 g/mol
SMILES	Cc1nnc(CCBr)o1
InChIKey	BKCFQLQZAXYLLQ-UHFFFAOYSA-N
PubChem CID	82184635
EC No.	885-750-4

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	38,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	9
Formalladung	0
Komplexität	91
Siedepunkt	250.9±42.0 °C(Predicted)
Dichte	1.579±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	-3.61±0.32(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS-Einstufung

DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)